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Transformer-based models have improved predictive modeling on longitudinal electronic health records through large-scale self-supervised pretraining. However, most EHR transformer architectures treat each clinical encounter as an unordered…

机器学习 · 计算机科学 2026-03-17 Krish Tadigotla

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

机器学习 · 计算机科学 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

机器学习 · 计算机科学 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised…

机器学习 · 计算机科学 2024-06-17 Yuhao Xu , Xinqi Liu , Keyu Duan , Yi Fang , Yu-Neng Chuang , Daochen Zha , Qiaoyu Tan

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

机器学习 · 统计学 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining…

机器学习 · 计算机科学 2023-07-25 Hamed Shirzad , Ameya Velingker , Balaji Venkatachalam , Danica J. Sutherland , Ali Kemal Sinop

Graph Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to…

机器学习 · 计算机科学 2026-02-04 Gang Wu , Zhengwei Wang

In the last few years, graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs. This emerging field has witnessed an extensive growth of promising techniques that have been applied with…

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

机器学习 · 计算机科学 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these…

机器学习 · 计算机科学 2024-07-17 Yingxue Zhao , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Nan Li

Collaborative recommendation fundamentally involves learning high-quality user and item representations from interaction data. Recently, graph convolution networks (GCNs) have advanced the field by utilizing high-order connectivity patterns…

信息检索 · 计算机科学 2024-12-30 Jiajia Chen , Jiancan Wu , Jiawei Chen , Chongming Gao , Yong Li , Xiang Wang

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with…

机器学习 · 计算机科学 2023-06-22 Chen Cai , Truong Son Hy , Rose Yu , Yusu Wang

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

机器学习 · 计算机科学 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

计算与语言 · 计算机科学 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

机器学习 · 计算机科学 2025-08-26 Leon Dimitrov

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

机器学习 · 计算机科学 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance…

机器学习 · 计算机科学 2022-07-11 John Palowitch , Anton Tsitsulin , Brandon Mayer , Bryan Perozzi

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

机器学习 · 计算机科学 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

社会与信息网络 · 计算机科学 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang